The interval estimate functionality was preparing the trajectory
by calling the different parts of the preparation (equilibration,
decorrelation, tail pruning) separately, instead of calling the
combined higher-level function.
This change replaces the calls to the lower level function by a
call to the higher-level one. The regression test confirms that
the result is unchanged.
Refs #99, as this simplification (and harmonization with other
uses of the trajectory prepataion) will make the task in #99
easier.
codecov[bot]
commented
3 years ago
Description
The interval estimate functionality was preparing the trajectory by calling the different parts of the preparation (equilibration, decorrelation, tail pruning) separately, instead of calling the combined higher-level function.
This change replaces the calls to the lower level function by a call to the higher-level one. The regression test confirms that the result is unchanged.
Refs #99, as this simplification (and harmonization with other uses of the trajectory prepataion) will make the task in #99 easier.
Status